N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide

C21H25N3O3 — CID 95223448

IUPACN-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccco2)cccc1C(=O)N1CC[C@]2(CCCNC2)C1
InChIInChI=1S/C21H25N3O3/c1-15-16(5-2-6-17(15)23-19(25)18-7-3-12-27-18)20(26)24-11-9-21(14-24)8-4-10-22-13-21/h2-3,5-7,12,22H,4,8-11,13-14H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyAOZMMIZHUBCXMC-NRFANRHFSA-N
MW367.45 g/mol
LogP3.06
Rot. Bonds3

About N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide

N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 95223448) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID95223448
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccco2)cccc1C(=O)N1CC[C@]2(CCCNC2)C1
InChIInChI=1S/C21H25N3O3/c1-15-16(5-2-6-17(15)23-19(25)18-7-3-12-27-18)20(26)24-11-9-21(14-24)8-4-10-22-13-21/h2-3,5-7,12,22H,4,8-11,13-14H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyAOZMMIZHUBCXMC-NRFANRHFSA-N
XLogP3.06
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

2,9-diazaspiro[4.5]decan-2-yl(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 56750707
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 95217985
2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594
N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 56758247
2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride
CID 154890513
N-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711
2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 56742818
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 102849920

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide (CID 95223448) is N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide is Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CC[C@]2(CCCNC2)C1.
What is the InChIKey of N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is AOZMMIZHUBCXMC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-16(5-2-6-17(15)23-19(25)18-7-3-12-27-18)20(26)24-11-9-21(14-24)8-4-10-22-13-21/h2-3,5-7,12,22H,4,8-11,13-14H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide?
N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 95223448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).